Detailed information for compound 692917

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 498.661 | Formula: C25H30N4O3S2
  • H donors: 1 H acceptors: 4 LogP: 3.96 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc2c(s1)CN(CC2)Cc1ccccc1)C
  • InChi: 1S/C25H30N4O3S2/c1-3-4-15-28(2)34(31,32)21-12-10-20(11-13-21)24(30)27-25-26-22-14-16-29(18-23(22)33-25)17-19-8-6-5-7-9-19/h5-13H,3-4,14-18H2,1-2H3,(H,26,27,30)
  • InChiKey: XMEVQMVLCLHBJN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0055 0.1206 0.1176
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0128 0.3624 0.3602
Loa Loa (eye worm) hypothetical protein 0.0055 0.1206 0.1176
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0242 0.5
Loa Loa (eye worm) carboxylesterase 0.0323 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0055 0.1206 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0242 0.1777
Onchocerca volvulus 0.0055 0.1206 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0323 1 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0242 0.0209
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0242 0.5
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0034 0.5
Loa Loa (eye worm) carboxylesterase 0.0055 0.1206 0.1176
Loa Loa (eye worm) hypothetical protein 0.0323 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0323 1 1
Echinococcus multilocularis carboxylesterase 5A 0.0323 1 1
Onchocerca volvulus 0.0055 0.1206 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0242 0.2007
Loa Loa (eye worm) hypothetical protein 0.0055 0.1206 0.1176
Brugia malayi Carboxylesterase family protein 0.0055 0.1206 0.0988
Mycobacterium tuberculosis Carboxylesterase LipT 0.0055 0.1206 1
Loa Loa (eye worm) TAR-binding protein 0.0128 0.3624 0.3602
Brugia malayi Carboxylesterase family protein 0.0055 0.1206 0.0988
Brugia malayi Carboxylesterase family protein 0.0055 0.1206 0.0988
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0242 0.1777
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0242 0.1777
Onchocerca volvulus 0.0055 0.1206 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.1206 0.1176
Brugia malayi Carboxylesterase family protein 0.0323 1 1
Echinococcus granulosus acetylcholinesterase 0.0323 1 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0242 0.1777
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0242 0.1777
Echinococcus multilocularis acetylcholinesterase 0.0323 1 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0242 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.1206 0.1176
Brugia malayi TAR-binding protein 0.0128 0.3624 0.3466
Loa Loa (eye worm) hypothetical protein 0.0025 0.0242 0.0209
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0242 0.1777
Schistosoma mansoni tar DNA-binding protein 0.0128 0.3624 0.2749
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0242 0.5
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0242 0.5
Onchocerca volvulus 0.0055 0.1206 1
Schistosoma mansoni tar DNA-binding protein 0.0128 0.3624 0.2749
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0242 0.1777
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0055 0.1206 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0242 0.0209
Mycobacterium ulcerans hypothetical protein 0.0025 0.0242 0.1777
Onchocerca volvulus 0.0055 0.1206 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.1206 0.1176
Brugia malayi RNA recognition motif domain containing protein 0.0128 0.3624 0.3466
Echinococcus multilocularis acetylcholinesterase 0.0323 1 1
Echinococcus granulosus tar DNA binding protein 0.0128 0.3624 0.2749
Loa Loa (eye worm) hypothetical protein 0.0323 1 1
Schistosoma mansoni tar DNA-binding protein 0.0128 0.3624 0.2749
Trichomonas vaginalis spcc417.12 protein, putative 0.0055 0.1206 0.5
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0242 0.5
Brugia malayi hypothetical protein 0.0055 0.1206 0.0988
Schistosoma mansoni tar DNA-binding protein 0.0128 0.3624 0.2749
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0055 0.1206 0.5
Mycobacterium ulcerans carboxylesterase, LipT 0.0055 0.1206 1
Echinococcus granulosus acetylcholinesterase 0.0323 1 1
Brugia malayi Carboxylesterase family protein 0.0055 0.1206 0.0988
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0034 0.5
Echinococcus multilocularis tar DNA binding protein 0.0128 0.3624 0.2749
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0242 0.2007
Loa Loa (eye worm) RNA binding protein 0.0128 0.3624 0.3602
Brugia malayi RNA binding protein 0.0128 0.3624 0.3466
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0034 0.0279
Loa Loa (eye worm) carboxylesterase 0.0055 0.1206 0.1176
Echinococcus granulosus carboxylesterase 5A 0.0323 1 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0034 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.1206 0.1176
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.0242 0.5
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0242 0.5
Schistosoma mansoni tar DNA-binding protein 0.0128 0.3624 0.2749

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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